SCHEMBL3036049

SCHEMBL3036049

COc1ccc(Cc2cn(C)c3cccc(OCc4ccccc4)c23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.52
LTA4H P09960 1/20 0.46
HTR1A P08908 2/20 0.44
DRD2 P14416 1/20 0.44
BCHE P06276 4/20 0.43
SLC5A2 P31639 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TRIM24 O15164 1/20 0.41
MAOB P27338 1/20 0.41
EGFR P00533 2/20 0.41
PDGFRB P09619 2/20 0.41
KDR P35968 2/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26097379 0.80 MAPT (0.46) HTR1ADRD2MAOBMAPTMAPK1
SCHEMBL3049904 0.80 BCHE (0.43) ABCB1BCHESLC5A2
SCHEMBL3045532 0.78 HTR2C (0.55) LTA4HSLC5A2EGFRPDGFRBKDR
SCHEMBL14278464 0.78 SLC5A2 (0.57) LTA4HSLC5A2
SCHEMBL12558831 0.76 HTR2C (0.61) BCHEMAPTMAPK1TDP1L3MBTL1
SCHEMBL3041280 0.75 HTR2A (0.61) ABCB1LTA4HHTR1ADRD2BCHE
SCHEMBL23819903 0.75 BCHE (0.61) BCHEMAPTMAPK1L3MBTL1
SCHEMBL23805227 0.74 BCHE (0.49) DRD2BCHE
SCHEMBL3091118 0.74 GPR84 (0.65) LTA4HMAOB
SCHEMBL3048085 0.74 ALK (0.54) MAPTMAPK1TDP1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820630-B2 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA NV (BE) 2010-10-26 US disclosed
US-20100009900-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES BEAVERS MARY PAT 2010-01-14 US disclosed
US-20090105164-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES BEAVERS MARY PAT 2009-04-23 US disclosed
US-7511022-B2 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-31 US disclosed
US-20060293251-A1 Substituted indazole-O-glucosides JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-28 US disclosed
US-7129220-B2 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA N.V (BE) 2006-10-31 US disclosed
US-20050037981-A1 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100009900-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES GPR119, PYGL, IAPP ABCB1 2246/4885LTA4H 3204/4885HTR1A 148/4885
US-20090105164-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES GPR119, PYGL, IAPP ABCB1 2246/4885LTA4H 3204/4885HTR1A 148/4885
US-20050037981-A1 Substituted indole-O-glucosides GPR119, PYGL, IAPP ABCB1 2246/4885LTA4H 3204/4885HTR1A 148/4885
US-20060293251-A1 Substituted indazole-O-glucosides GPR119, PYGL, GYS2 ABCB1 839/4885LTA4H 4148/4885HTR1A 787/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.